Calibrating DEM Simulations with Minimal Amounts of API: A Novel Solution for Early-Stage Pharmaceutical Development

Synopsis

Discrete Element Method (DEM) simulations offer a powerful tool for predicting the behaviour of bulk powder systems in pharmaceutical manufacturing. However, these simulations require accurate calibration, which typically relies on substantial material quantities. In the early stages of API development, only limited amounts of powder are available, posing a challenge for effective calibration.

We propose a method to use micro-quantities of API for calibrating DEM simulations, enabling accurate predictions for larger-scale systems. By targeting key particle properties—such as compressibility, cohesion, and shear strength—we demonstrate how small samples can be leveraged to align DEM outputs with the performance of full-scale pharmaceutical processes. This approach not only facilitates early-stage development but also supports sustainable practices by reducing material waste and expediting the design of equipment like tablet presses and blenders, setting a new standard for efficiency in pharmaceutical development.